SCHEMBL23623494

SCHEMBL23623494

COc1ccc(F)cc1-c1nc(CNC(=O)c2cnccc2OC(F)F)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
NTRK1 P04629 2/20 0.38
GPR6 P46095 4/20 0.38
KCNH2 Q12809 2/20 0.38
GRIN2B Q13224 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GSK3B P49841 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23611767 0.91 TP53 (0.42) LMNATP53NTRK1MAPTTHRB
SCHEMBL23623309 0.91 ALOX15 (0.43) LMNATP53MAPTTHRBPOLB
SCHEMBL23623267 0.90 TP53 (0.42) LMNATP53NTRK1MAPTTHRB
SCHEMBL23623602 0.88 NAMPT (0.40) NAMPTLMNATP53GPR6KCNH2
SCHEMBL23611738 0.86 ALOX15 (0.44) LMNATP53NTRK1MAPTTHRB
SCHEMBL23623328 0.85 LMNA (0.38) LMNATP53NTRK1GPR6MAPT
SCHEMBL29930983 0.84 LMNA (0.44) LMNATP53GPR6KCNH2GRIN2B
SCHEMBL23611715 0.84 LMNA (0.44) LMNATP53GPR6KCNH2GRIN2B
SCHEMBL23611766 0.83 CTSA (0.38) LMNATP53NTRK1MAPTTHRB
SCHEMBL23611711 0.82 ADORA3 (0.41) LMNATP53MAPTTHRBPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 NAMPT 3520/4885LMNA 3530/4885TP53 896/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NAMPT 3520/4885LMNA 3530/4885TP53 896/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NAMPT 3520/4885LMNA 3530/4885TP53 896/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.